renamed most *_utils.py to utils.py, globals.py to constants.py

ramannoodle/dynamics/phonon.py

@@ -4,7 +4,7 @@
 from numpy.typing import NDArray
 
 from ramannoodle.dynamics.abstract import Dynamics
-from ramannoodle.globals import RAMAN_TENSOR_CENTRAL_DIFFERENCE
+from ramannoodle.constants import RAMAN_TENSOR_CENTRAL_DIFFERENCE
 from ramannoodle.polarizability.abstract import PolarizabilityModel
 from ramannoodle.spectrum.raman import PhononRamanSpectrum
 from ramannoodle.exceptions import verify_ndarray_shape

ramannoodle/dynamics/trajectory.py

@@ -10,7 +10,7 @@
 from ramannoodle.polarizability.abstract import PolarizabilityModel
 from ramannoodle.exceptions import verify_ndarray_shape, get_type_error
 from ramannoodle.spectrum.raman import MDRamanSpectrum
-from ramannoodle.structure.structure_utils import apply_pbc
+from ramannoodle.structure.utils import apply_pbc
 
 
 class Trajectory(Dynamics, Sequence[NDArray[np.float64]]):

ramannoodle/io/io_utils.py → ramannoodle/io/utils.py

@@ -16,7 +16,7 @@
     get_torch_missing_error,
     UserError,
 )
-from ramannoodle.globals import ATOM_SYMBOLS
+from ramannoodle.constants import ATOM_SYMBOLS
 
 TORCH_PRESENT = True
 try:

ramannoodle/io/vasp/outcar.py

@@ -5,13 +5,13 @@
 import numpy as np
 from numpy.typing import NDArray
 
-from ramannoodle.io.io_utils import (
+from ramannoodle.io.utils import (
     _skip_file_until_line_contains,
     pathify,
     _read_polarizability_dataset,
 )
 from ramannoodle.exceptions import InvalidFileException, NoMatchingLineFoundException
-from ramannoodle.globals import ATOMIC_WEIGHTS, ATOMIC_NUMBERS
+from ramannoodle.constants import ATOMIC_WEIGHTS, ATOMIC_NUMBERS
 from ramannoodle.exceptions import get_type_error, UserError
 from ramannoodle.dynamics.phonon import Phonons
 from ramannoodle.dynamics.trajectory import Trajectory

ramannoodle/io/vasp/poscar.py

@@ -6,9 +6,9 @@
 import numpy as np
 from numpy.typing import NDArray
 
-from ramannoodle.io.io_utils import verify_structure, pathify
+from ramannoodle.io.utils import verify_structure, pathify
 from ramannoodle.exceptions import InvalidFileException
-from ramannoodle.globals import ATOM_SYMBOLS, ATOMIC_NUMBERS
+from ramannoodle.constants import ATOM_SYMBOLS, ATOMIC_NUMBERS
 from ramannoodle.structure.reference import ReferenceStructure
 from ramannoodle.io.vasp.outcar import _get_lattice_vector_from_outcar_line
 

ramannoodle/io/vasp/vasprun.py

@@ -8,9 +8,9 @@
 import numpy as np
 from numpy.typing import NDArray
 
-from ramannoodle.io.io_utils import pathify, _read_polarizability_dataset
+from ramannoodle.io.utils import pathify, _read_polarizability_dataset
 from ramannoodle.exceptions import InvalidFileException, UserError
-from ramannoodle.globals import ATOMIC_WEIGHTS, ATOMIC_NUMBERS
+from ramannoodle.constants import ATOMIC_WEIGHTS, ATOMIC_NUMBERS
 from ramannoodle.dynamics.phonon import Phonons
 from ramannoodle.dynamics.trajectory import Trajectory
 from ramannoodle.structure.reference import ReferenceStructure

ramannoodle/io/vasp/xdatcar.py

@@ -5,7 +5,7 @@
 import numpy as np
 from numpy.typing import NDArray
 
-from ramannoodle.io.io_utils import verify_trajectory, pathify
+from ramannoodle.io.utils import verify_trajectory, pathify
 from ramannoodle.exceptions import InvalidFileException
 from ramannoodle.dynamics.trajectory import Trajectory
 from ramannoodle.io.vasp.poscar import (

ramannoodle/polarizability/art.py

@@ -8,7 +8,7 @@
 from numpy.typing import NDArray
 from tabulate import tabulate
 
-from ramannoodle.globals import ANSICOLORS
+from ramannoodle.constants import ANSICOLORS
 from ramannoodle.polarizability.interpolation import InterpolationModel
 from ramannoodle.exceptions import (
     get_type_error,

ramannoodle/polarizability/interpolation.py

@@ -14,9 +14,9 @@
 from numpy.typing import NDArray, ArrayLike
 from scipy.interpolate import make_interp_spline, BSpline
 
-from ramannoodle.globals import ANSICOLORS
+from ramannoodle.constants import ANSICOLORS
 from ramannoodle.polarizability.abstract import PolarizabilityModel
-from ramannoodle.structure.structure_utils import calc_displacement
+from ramannoodle.structure.utils import calc_displacement
 from ramannoodle.structure.symmetry_utils import (
     is_orthogonal_to_all,
     is_collinear_with_all,
@@ -31,7 +31,7 @@
     UserError,
 )
 import ramannoodle.io.generic as generic_io
-from ramannoodle.io.io_utils import pathify_as_list
+from ramannoodle.io.utils import pathify_as_list
 
 
 def get_amplitude(

ramannoodle/spectrum/raman.py

@@ -4,10 +4,10 @@
 from numpy.typing import NDArray
 
 from ramannoodle.exceptions import get_type_error, verify_ndarray_shape
-from ramannoodle.globals import BOLTZMANN_CONSTANT
+from ramannoodle.constants import BOLTZMANN_CONSTANT
 from ramannoodle.spectrum.abstract import RamanSpectrum
 
-from ramannoodle.spectrum.spectrum_utils import calc_signal_spectrum
+from ramannoodle.spectrum.utils import calc_signal_spectrum
 
 
 def get_bose_einstein_correction(

ramannoodle/structure/displace.py

@@ -17,14 +17,14 @@
 from numpy.typing import NDArray
 
 from ramannoodle.structure.reference import ReferenceStructure
-from ramannoodle.structure.structure_utils import displace_positions
+from ramannoodle.structure.utils import displace_positions
 from ramannoodle.exceptions import (
     get_type_error,
     get_shape_error,
     verify_ndarray_shape,
     verify_list_len,
 )
-from ramannoodle.io.io_utils import pathify_as_list
+from ramannoodle.io.utils import pathify_as_list
 import ramannoodle.io.generic as generic_io
 
 

ramannoodle/structure/reference.py

@@ -13,13 +13,13 @@
     verify_list_len,
     get_shape_error,
 )
-from ramannoodle.structure.structure_utils import (
+from ramannoodle.structure.utils import (
     displace_positions,
     transform_positions,
     apply_pbc_displacement,
     calc_displacement,
 )
-from ramannoodle.globals import ATOM_SYMBOLS
+from ramannoodle.constants import ATOM_SYMBOLS
 from ramannoodle.structure import symmetry_utils
 
 

test/tests/test_io.py

@@ -8,7 +8,7 @@
 from numpy.typing import NDArray
 
 import ramannoodle.io.generic as generic_io
-from ramannoodle.io.io_utils import pathify_as_list
+from ramannoodle.io.utils import pathify_as_list
 
 
 @pytest.mark.parametrize(

test/tests/test_outcar.py

@@ -8,7 +8,7 @@
 import pytest
 
 import ramannoodle.io.generic as generic_io
-from ramannoodle.globals import ATOMIC_WEIGHTS
+from ramannoodle.constants import ATOMIC_WEIGHTS
 from ramannoodle.exceptions import InvalidFileException
 
 

test/tests/test_phonon_spectrum.py

@@ -15,7 +15,7 @@
     get_laser_correction,
 )
 from ramannoodle.structure.reference import ReferenceStructure
-from ramannoodle.spectrum.spectrum_utils import convolve_spectrum
+from ramannoodle.spectrum.utils import convolve_spectrum
 
 # pylint: disable=protected-access,too-many-locals
 

test/tests/test_structure.py

@@ -6,7 +6,7 @@
 from numpy.typing import NDArray
 import pytest
 
-from ramannoodle.structure.structure_utils import apply_pbc, apply_pbc_displacement
+from ramannoodle.structure.utils import apply_pbc, apply_pbc_displacement
 from ramannoodle.structure.symmetry_utils import (
     is_collinear_with_all,
     is_non_collinear_with_all,

test/tests/test_trajectory_spectrum.py

@@ -6,7 +6,7 @@
 from numpy.typing import NDArray
 import pytest
 
-from ramannoodle.spectrum.spectrum_utils import calc_signal_spectrum
+from ramannoodle.spectrum.utils import calc_signal_spectrum
 import ramannoodle.io.vasp as vasp_io
 from ramannoodle.structure.reference import ReferenceStructure
 from ramannoodle.polarizability.interpolation import InterpolationModel